lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

C11H13FLiN3O3 — CID 168838975

IUPAClithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOc1nc(N2CCC(C(=O)[O-])CC2)ncc1F.[Li+]
InChIInChI=1S/C11H14FN3O3.Li/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17;/h6-7H,2-5H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyCBEHZCNHVGQWPF-UHFFFAOYSA-M
MW261.18 g/mol
LogP-3.41
Rot. Bonds3

About lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 168838975) has the molecular formula C11H13FLiN3O3 and a molecular weight of 261.18 g/mol. Its IUPAC name is lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namelithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID168838975
Molecular FormulaC11H13FLiN3O3
Molecular Weight261.18 g/mol
Exact Mass261.11
IUPAC Namelithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOc1nc(N2CCC(C(=O)[O-])CC2)ncc1F.[Li+]
InChIInChI=1S/C11H14FN3O3.Li/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17;/h6-7H,2-5H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyCBEHZCNHVGQWPF-UHFFFAOYSA-M
XLogP-3.41
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 5-3.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 16228258
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
Tert-butyl 4-(((2-chloro-5-fluoropyrimidin-4-yl)oxy)methyl)piperidine-1-carboxylate
CID 87718324
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
CID 113286004
Methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
CID 162376324
1-(5-Fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 162376598
Methyl 1-(5-fluoro-4-isocyanopyrimidin-2-yl)piperidine-4-carboxylate
CID 168839027
Methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 169090107
5-Fluoro-4-methoxy-2-piperidin-1-ylpyrimidine
CID 169090115

Frequently Asked Questions

What is the IUPAC name of lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (CID 168838975) is lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is COc1nc(N2CCC(C(=O)[O-])CC2)ncc1F.[Li+].
What is the InChIKey of lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is CBEHZCNHVGQWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14FN3O3.Li/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17;/h6-7H,2-5H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 261.18 g/mol, XLogP of -3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 168838975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).